Geometry & MOs

Info

ID:	122088
PubChem CID:	50793256
Reduced:	ClN3O5C30H30 (1)
Stoich.:	AB3C5D30E30 (1)
Weight, g/mol:	529.257671
ΔH_f, kcal/mol:	-149.44
Dipole, Da:	9.91
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-[[6,7-dimethoxy-1-[(3-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC3=CC(=CC=C3)Cl)CC4=CC=C(C=C4)C(=O)N5CCCCC5)OC

DOS

IR

Vibrations